UCSF

ZINC20166419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 4.21 -42.04 2 4 1 37 305.442 5
Hi High (pH 8-9.5) 1.63 1.95 -6.15 1 4 0 36 304.434 5
Mid Mid (pH 6-8) 1.63 4.18 -36.55 2 4 1 37 305.442 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )